Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
1.7560 1.9265 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3854 2.1381 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4738 1.0425 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8449 1.1753 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6153 0.0351 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 -1.2226 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6306 -1.3541 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 -0.1931 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4406 -0.4478 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2935 0.6352 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5603 -1.8997 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3366 -2.4322 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3909 2.7998 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0736 3.1025 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2785 2.1594 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7058 0.0845 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5845 -2.1262 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3426 0.4666 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5119 -2.4159 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0881 -3.4739 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers